4-[2-methyl-1-(3-methylheptan-2-yl)indol-1-ium-3-ylidene]-2-[2-methyl-1-(3-methylheptan-2-yl)indol-3-yl]-3-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 4-[2-methyl-1-(3-methylheptan-2-yl)indol-1-ium-3-ylidene]-2-[2-methyl-1-(3-methylheptan-2-yl)indol-3-yl]-3-oxidanyl-cyclobut-2-en-1-one Openeye Name: 4-[1-(1,2-dimethylhexyl)-2-methyl-indol-1-ium-3-ylidene]-2-[1-(1,2-dimethylhexyl)-2-methyl-indol-3-yl]-3-hydroxy-cyclobut-2-en-1-one CAS Name: 3-hydroxy-4-[2-methyl-1-(3-methylheptan-2-yl)-3-indol-1-iumylidene]-2-[2-methyl-1-(3-methylheptan-2-yl)-3-indolyl]-1-cyclobut-2-enone IUPAC Name: 3-hydroxy-4-[2-methyl-1-(3-methylheptan-2-yl)indol-1-ium-3-ylidene]-2-[2-methyl-1-(3-methylheptan-2-yl)indol-3-yl]cyclobut-2-en-1-one Traditional Name: 4-[1-(1,2-dimethylhexyl)-2-methyl-indol-1-ium-3-ylidene]-2-[1-(1,2-dimethylhexyl)-2-methyl-indol-3-yl]-3-hydroxy-cyclobut-2-en-1-one Formula: C38H49N2O2+ MolecularWeight: 565.80786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C)N1C(=C(C2=CC=CC=C21)C3=C(C(=C4C(=[N+](C5=CC=CC=C54)C(C)C(C)CCCC)C)C3=O)O)C

Isomeric SMILES

CCCCC(C)C(C)N1C(=C(C2=CC=CC=C21)C3=C(C(=C4C(=[N+](C5=CC=CC=C54)C(C)C(C)CCCC)C)C3=O)O)C

InChI

InChI=1S/C38H48N2O2/c1-9-11-17-23(3)25(5)39-27(7)33(29-19-13-15-21-31(29)39)35-37(41)36(38(35)42)34-28(8)40(26(6)24(4)18-12-10-2)32-22-16-14-20-30(32)34/h13-16,19-26H,9-12,17-18H2,1-8H3/p+1